(3S)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

C25H27N3O2S — CID 92609438

About (3S)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

(3S)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92609438) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is (3S)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 92609438
• Molecular Formula: C25H27N3O2S
• Molecular Weight: 433.58 g/mol
• Exact Mass: 433.18
• IUPAC Name: (3S)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)Cc2ccccn2)C1
• InChI: InChI=1S/C25H27N3O2S/c1-26-24(30)25(17-19-8-2-3-10-21(19)22-11-6-15-31-22)12-7-14-28(18-25)23(29)16-20-9-4-5-13-27-20/h2-6,8-11,13,15H,7,12,14,16-18H2,1H3,(H,26,30)/t25-/m0/s1
• InChIKey: ZSAMUWOMFAJUAH-VWLOTQADSA-N
• XLogP: 3.95
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.58
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3S)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 92609438) is (3S)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)Cc2ccccn2)C1.

What is the InChIKey of (3S)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is ZSAMUWOMFAJUAH-VWLOTQADSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-26-24(30)25(17-19-8-2-3-10-21(19)22-11-6-15-31-22)12-7-14-28(18-25)23(29)16-20-9-4-5-13-27-20/h2-6,8-11,13,15H,7,12,14,16-18H2,1H3,(H,26,30)/t25-/m0/s1.

What are the key properties of (3S)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?

(3S)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-methyl-1-(2-pyridin-2-ylacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92609438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).